4-azanyl-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-N5-phenethyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-N5-phenethylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-5-N-phenethyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-N'-phenethyl-isothiazole-3,5-dicarboxamide Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)N(CCC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)N(CCC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C21H29N5O3S/c1-13(2)9-11-24-20(28)14(3)26(12-10-15-7-5-4-6-8-15)21(29)18-16(22)17(19(23)27)25-30-18/h4-8,13-14H,9-12,22H2,1-3H3,(H2,23,27)(H,24,28)/t14-/m0/s1